SCHEMBL2117555

SCHEMBL2117555

O=c1c2cnn(-c3ccccc3)c2nc(-c2ccccc2)n1-c1cccc(Cl)c1

nearest known ligand 0.87

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.87
THRB P10828 1/20 0.87
SMN1; SMN2 Q16637 5/20 0.74
MAPT P10636 4/20 0.74
ALDH1A1 P00352 4/20 0.74
HPGD P15428 4/20 0.74
KDM4E B2RXH2 2/20 0.74
KMT2A Q03164 2/20 0.74
LMNA P02545 2/20 0.74
GRM1 Q13255 4/20 0.61
GRM5 P41594 1/20 0.61
TSHR P16473 2/20 0.57
HTT P42858 2/20 0.57
ALOX15 P16050 1/20 0.57
MAPK1 P28482 1/20 0.57
PTGS2 P35354 1/20 0.54
DPP4 P27487 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2117971 0.95 TP53 (0.88) TP53THRBSMN1; SMN2MAPTALDH1A1
SCHEMBL2117907 0.93 THRB (1.00) TP53THRBSMN1; SMN2MAPTALDH1A1
SCHEMBL2119956 0.93 TP53 (1.00) TP53THRBSMN1; SMN2MAPTALDH1A1
SCHEMBL2116814 0.92 TP53 (0.82) TP53THRBSMN1; SMN2MAPTALDH1A1
SCHEMBL1753439 0.90 TP53 (0.83) TP53THRBSMN1; SMN2MAPTALDH1A1
SCHEMBL2114882 0.89 MAPT (0.76) TP53THRBSMN1; SMN2MAPTALDH1A1
SCHEMBL1689006 0.88 THRB (0.76) TP53THRBSMN1; SMN2MAPTALDH1A1
SCHEMBL2115647 0.88 THRB (0.83) TP53THRBSMN1; SMN2MAPTALDH1A1
SCHEMBL1689149 0.88 MAPT (0.78) TP53THRBSMN1; SMN2MAPTALDH1A1
SCHEMBL2118035 0.88 MAPT (0.84) TP53THRBSMN1; SMN2MAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US claimed
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
US-20070299047-A1 Combination of Organic Compounds MAHER WILLIAM 2007-12-27 US disclosed
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP disclosed
EP-1791600-A1 COMBINATION OF ORGANIC COMPOUNDS Novartis AG (CH) 2007-06-06 EP disclosed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 WO disclosed
WO-2006029349-A1 COMBINATION OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-03-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070299047-A1 Combination of Organic Compounds GLP1R, PPARG, GCGR TP53 4351/4885THRB 427/4885SMN1; SMN2 4363/4885
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH TP53 4640/4885THRB 1943/4885SMN1; SMN2 3746/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH TP53 4640/4885THRB 1943/4885SMN1; SMN2 3746/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.